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2-Methylimidazo[1,2-A]Pyridine
CAS: 934-37-2 | C8H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
934-37-2
Molecular Formula:
C8H8N2
Molecular Weight:
132.16599999999997 g/mol
Names and Synonyms:
2-Methylimidazo[1,2-A]Pyridine
Imidazo[1,2-a]pyridine, 2-methyl-
2-Methylimidazo[1,2-a]pyridine
Identifiers:
SMILES:
Cc1cn2ccccc2n1
InChI:
InChI=1S/C8H8N2/c1-7-6-10-5-3-2-4-8(10)9-7/h2-6H,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 132.17 g/mol | Legacy Database |
| cas-boiling-point | 134-136 °C @ Press: 15 Torr None | Legacy Database |
| cas-canonical-smile | N1=C2C=CC=CN2C=C1C None | Legacy Database |
| cas-inchi | InChI=1S/C8H8N2/c1-7-6-10-5-3-2-4-8(10)9-7/h2-6H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BZACBBRLMWHCNM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 45-46 °C @ Solvent: Diethyl ether None | Legacy Database |
| cas-name | 2-Methylimidazo[1,2-a]pyridine None | Legacy Database |
| LogP | 1.64272 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.16599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.068748256 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 17.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.92900000000002 | RDKit |
